N-(oxolan-2-ylmethyl)propan-1-amine

C8H17NO — CID 3144565

IUPACN-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCCNCC1CCCO1
InChIInChI=1S/C8H17NO/c1-2-5-9-7-8-4-3-6-10-8/h8-9H,2-7H2,1H3
InChIKeyIKOSVGABACUJCD-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds4

About N-(oxolan-2-ylmethyl)propan-1-amine

N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 3144565) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID3144565
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCCNCC1CCCO1
InChIInChI=1S/C8H17NO/c1-2-5-9-7-8-4-3-6-10-8/h8-9H,2-7H2,1H3
InChIKeyIKOSVGABACUJCD-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)propan-1-amine (CID 3144565) is N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)propan-1-amine is CCCNCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is IKOSVGABACUJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-5-9-7-8-4-3-6-10-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)propan-1-amine?
N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 3144565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).